2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid

C19H11ClFN3O3S — CID 58191273

IUPAC2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
SMILESO=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2c(F)cccn2n1
InChIInChI=1S/C19H11ClFN3O3S/c20-11-5-3-10(4-6-11)17-16(19(26)27)14(9-28-17)22-18(25)13-8-15-12(21)2-1-7-24(15)23-13/h1-9H,(H,22,25)(H,26,27)
InChIKeyUPLCIKXKLAEAEU-UHFFFAOYSA-N
MW415.83 g/mol
LogP4.81
Rot. Bonds4

About 2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid

2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 58191273) has the molecular formula C19H11ClFN3O3S and a molecular weight of 415.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID58191273
Molecular FormulaC19H11ClFN3O3S
Molecular Weight415.83 g/mol
Exact Mass415.02
IUPAC Name2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
SMILESO=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2c(F)cccn2n1
InChIInChI=1S/C19H11ClFN3O3S/c20-11-5-3-10(4-6-11)17-16(19(26)27)14(9-28-17)22-18(25)13-8-15-12(21)2-1-7-24(15)23-13/h1-9H,(H,22,25)(H,26,27)
InChIKeyUPLCIKXKLAEAEU-UHFFFAOYSA-N
XLogP4.81
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.83
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(6-Chloro-2-thiophen-3-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 123776027
6-[(6-Chloro-2-thiophen-2-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 123243963
3-((1-(2-(4-(2-(1H-Pyrazol-1-yl)ethyl)piperidin-1-yl)-2-oxoethyl)-6-chloro-7-fluoro-2-methyl-1H-indol-3-yl)thio)benzoic acid
CID 117979094
3-((1-(2-(2-(2-(1H-Pyrazol-1-yl)ethyl)piperidin-1-yl)-2-oxoethyl)-6-chloro-7-fluoro-2-methyl-1H-indol-3-yl)thio)benzoic acid
CID 117979158
Synthesis of 34(1-(1-(4-amino-4-oxobutyl)-1H-pyrazol-4-yl)-6-chloro-2-cyclopropyl-7-fluoro-1H-indol-3-yl)thio)-2-fluorobenzoic acid sodium salt
CID 118094273
Methyl 3-[({[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]thio}acetyl)amino]thiophene-2-carboxylate
CID 27422349
2-(2,3-Difluoro-4-methylphenyl)-4-(4-fluoropyrazolo[1,5-a]pyridine-2-carboxamido)thiophene-3-carboxylic acid
CID 51033466
4-(4-Chloro-3-fluorophenyl)-2-(quinoxaline-2-carbonylamino)thiophene-3-carboxylic acid
CID 53379656
4-(4-Chloro-2-fluorophenyl)-2-(quinoxaline-2-carbonylamino)thiophene-3-carboxylic acid
CID 53379756
4-(2-Fluoro-4-methylphenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 53380315
4-(2,3-Difluoro-4-methylphenyl)-2-[(6-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 53380316
4-(2-Fluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 53380412

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid (CID 58191273) is 2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid is O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2c(F)cccn2n1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is UPLCIKXKLAEAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFN3O3S/c20-11-5-3-10(4-6-11)17-16(19(26)27)14(9-28-17)22-18(25)13-8-15-12(21)2-1-7-24(15)23-13/h1-9H,(H,22,25)(H,26,27).
What are the key properties of 2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?
2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 415.83 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 58191273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).